NPASS Natural Product

Natural Product: NPC314050

Natural Product ID:	NPC314050
Common Name:	Lajollamycin
IUPAC Name:	(4Z,6Z,8E,10E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenamide
Synonyms:	Lajollamycin
Molecular Formula:	C36H53N3O10
Standard InCHIKey:	NSTDWVVCICGULY-RLJWGYAPSA-N
Standard InCHI:	InChI=1S/C36H53N3O10/c1-22(26(5)39(46)47)17-13-11-14-18-23(2)30(41)34(7,8)32(43)37-20-16-12-15-19-28(40)24(3)21-29(48-10)36(45)25(4)31(42)38(9)35(36)27(6)49-33(35)44/h11-19,24-25,27-30,40-41,45H,20-21H2,1-10H3,(H,37,43)/b14-11-,16-12+,17-13+,19-15+,23-18-,26-22+
Canonical SMILES:	COC(C1(O)C(C)C(=O)N(C21C(C)OC2=O)C)CC(C(/C=C/C=C/CN=C(C(C(/C(=CC=C/C=C/C(=C(/N(=O)=O)C)/C)/C)O)(C)C)O)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO32358	Streptomyces smc72	Species	Streptomycetaceae	Bacteria	StreptomeDB*
NPO28166.5	Streptomyces nodosus nps007994	Subspecies	Streptomycetaceae	Bacteria	StreptomeDB*
NPO28166	Streptomyces nodosus	Species	Streptomycetaceae	Bacteria	StreptomeDB*

Biological Activity

Activity Type	# Activity
EC50	1
IC50	7
MIC	13

Activity Type	# Activity
Cell Line	4
Organism	12
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	4	ug/ml	15730252
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	5	ug/ml	15730252
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	2	ug/ml	15730252
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	1.5	ug/ml	15730252
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	14	ug/ml	15730252
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	MIC	=	20	ug/ml	15730252
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	12	ug/ml	15730252
NPT169	Cell Line	B16-F10	Mus musculus	EC50	=	9600	nM	15730252
NPT81	Cell Line	A549	Homo sapiens	IC50	>	100000	nM	25211234
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	>	128	ug/ml	25211234
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	128	ug/ml	25211234
NPT2	Others	Unspecified		MIC	>	128	ug/ml	25211234
NPT1190	Organism	Salmonella enterica	Salmonella enterica	MIC	>	128	ug/ml	25211234
NPT3147	Organism	Kocuria rhizophila	Kocuria rhizophila	MIC	>	128	ug/ml	25211234
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	128	ug/ml	25211234
NPT2	Others	Unspecified		IC50	>	100000	nM	25211234
NPT111	Cell Line	K562	Homo sapiens	IC50	>	100000	nM	25211234
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	>	100000	nM	25211234
NPT2	Others	Unspecified		IC50	=	42000	nM	25211234

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC314050 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	98
0.1-0.2	619
0.2-0.3	2875
0.3-0.4	15364
0.4-0.5	10112
0.5-0.6	1721
0.6-0.7	99
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC315809
0.6959	Remote Similarity	NPC273185
0.6928	Remote Similarity	NPC120335
0.6645	Remote Similarity	NPC470650
0.6645	Remote Similarity	NPC470654
0.6645	Remote Similarity	NPC470653
0.6623	Remote Similarity	NPC477793
0.6623	Remote Similarity	NPC329919
0.6601	Remote Similarity	NPC474371
0.6601	Remote Similarity	NPC309525
0.6582	Remote Similarity	NPC99864
0.6571	Remote Similarity	NPC188785
0.6536	Remote Similarity	NPC313333
0.6536	Remote Similarity	NPC313342
0.6536	Remote Similarity	NPC314451
0.6536	Remote Similarity	NPC314512
0.6531	Remote Similarity	NPC469597
0.6519	Remote Similarity	NPC120420
0.6507	Remote Similarity	NPC476875
0.649	Remote Similarity	NPC470652
0.6481	Remote Similarity	NPC315210
0.6481	Remote Similarity	NPC315848
0.6447	Remote Similarity	NPC23963
0.6447	Remote Similarity	NPC160688
0.6447	Remote Similarity	NPC315188
0.6395	Remote Similarity	NPC474411
0.6395	Remote Similarity	NPC474431
0.6358	Remote Similarity	NPC235625
0.6353	Remote Similarity	NPC162104
0.6351	Remote Similarity	NPC314550
0.6346	Remote Similarity	NPC476951
0.6346	Remote Similarity	NPC314282
0.6333	Remote Similarity	NPC296043
0.6323	Remote Similarity	NPC36254
0.6298	Remote Similarity	NPC477462
0.6291	Remote Similarity	NPC329216
0.6276	Remote Similarity	NPC473252
0.6266	Remote Similarity	NPC470539
0.6264	Remote Similarity	NPC197743
0.6264	Remote Similarity	NPC297145
0.625	Remote Similarity	NPC106791
0.625	Remote Similarity	NPC476877
0.625	Remote Similarity	NPC201889
0.625	Remote Similarity	NPC284656
0.625	Remote Similarity	NPC314361
0.6235	Remote Similarity	NPC2501
0.6234	Remote Similarity	NPC156379
0.6234	Remote Similarity	NPC475383
0.6216	Remote Similarity	NPC251122
0.6213	Remote Similarity	NPC145113
0.6207	Remote Similarity	NPC14537
0.6207	Remote Similarity	NPC316244
0.6205	Remote Similarity	NPC475266
0.6205	Remote Similarity	NPC247776
0.6205	Remote Similarity	NPC475278
0.6205	Remote Similarity	NPC304299
0.6205	Remote Similarity	NPC71866
0.6205	Remote Similarity	NPC309450
0.6203	Remote Similarity	NPC470651
0.6203	Remote Similarity	NPC470655
0.6196	Remote Similarity	NPC45813
0.619	Remote Similarity	NPC171734
0.619	Remote Similarity	NPC70235
0.6185	Remote Similarity	NPC475342
0.6184	Remote Similarity	NPC475642
0.6174	Remote Similarity	NPC316984
0.6174	Remote Similarity	NPC30911
0.6164	Remote Similarity	NPC476876
0.6159	Remote Similarity	NPC472536
0.6159	Remote Similarity	NPC103391
0.6159	Remote Similarity	NPC471645
0.6149	Remote Similarity	NPC474725
0.6139	Remote Similarity	NPC204556
0.6135	Remote Similarity	NPC472430
0.6127	Remote Similarity	NPC122590
0.6122	Remote Similarity	NPC271562
0.6104	Remote Similarity	NPC241050
0.6095	Remote Similarity	NPC5620
0.6092	Remote Similarity	NPC470902
0.6082	Remote Similarity	NPC471821
0.6082	Remote Similarity	NPC471820
0.6078	Remote Similarity	NPC6531
0.6065	Remote Similarity	NPC11379
0.6062	Remote Similarity	NPC315387
0.6062	Remote Similarity	NPC316205
0.6059	Remote Similarity	NPC314358
0.6059	Remote Similarity	NPC471674
0.6059	Remote Similarity	NPC201899
0.6051	Remote Similarity	NPC314629
0.6051	Remote Similarity	NPC50520
0.6036	Remote Similarity	NPC52748
0.6034	Remote Similarity	NPC471053
0.6034	Remote Similarity	NPC471051
0.6034	Remote Similarity	NPC471052
0.6027	Remote Similarity	NPC215988
0.6014	Remote Similarity	NPC475800
0.6013	Remote Similarity	NPC30196
0.6	Remote Similarity	NPC469603
0.6	Remote Similarity	NPC316008
0.6	Remote Similarity	NPC313867
0.5988	Remote Similarity	NPC316401
0.5987	Remote Similarity	NPC193471
0.5987	Remote Similarity	NPC130124
0.5986	Remote Similarity	NPC205176
0.5986	Remote Similarity	NPC74035
0.5976	Remote Similarity	NPC161069
0.5976	Remote Similarity	NPC472428
0.5974	Remote Similarity	NPC147707
0.5973	Remote Similarity	NPC207820
0.5962	Remote Similarity	NPC477143
0.5962	Remote Similarity	NPC477140
0.5954	Remote Similarity	NPC129666
0.5951	Remote Similarity	NPC133089
0.5946	Remote Similarity	NPC26108
0.5943	Remote Similarity	NPC113620
0.5943	Remote Similarity	NPC100612
0.5943	Remote Similarity	NPC473341
0.5943	Remote Similarity	NPC174336
0.5943	Remote Similarity	NPC475599
0.5943	Remote Similarity	NPC187497
0.5941	Remote Similarity	NPC476978
0.5941	Remote Similarity	NPC315283
0.5941	Remote Similarity	NPC314388
0.5935	Remote Similarity	NPC200412
0.5935	Remote Similarity	NPC156336
0.5935	Remote Similarity	NPC120599
0.5931	Remote Similarity	NPC473224
0.5926	Remote Similarity	NPC477988
0.5921	Remote Similarity	NPC478024
0.592	Remote Similarity	NPC7817
0.592	Remote Similarity	NPC475168
0.5916	Remote Similarity	NPC282092
0.5897	Remote Similarity	NPC470788
0.5897	Remote Similarity	NPC477237
0.5893	Remote Similarity	NPC172365
0.5893	Remote Similarity	NPC82931
0.5893	Remote Similarity	NPC210729
0.589	Remote Similarity	NPC90814
0.589	Remote Similarity	NPC189393
0.5886	Remote Similarity	NPC475527
0.5886	Remote Similarity	NPC265699
0.5882	Remote Similarity	NPC176226
0.5882	Remote Similarity	NPC475892
0.5878	Remote Similarity	NPC472616
0.5878	Remote Similarity	NPC64168
0.5871	Remote Similarity	NPC201968
0.5871	Remote Similarity	NPC209734
0.5867	Remote Similarity	NPC474099
0.5864	Remote Similarity	NPC110294
0.5862	Remote Similarity	NPC234542
0.5858	Remote Similarity	NPC163392
0.5858	Remote Similarity	NPC239762
0.5855	Remote Similarity	NPC47857
0.5855	Remote Similarity	NPC21713
0.5855	Remote Similarity	NPC181510
0.5855	Remote Similarity	NPC475608
0.5855	Remote Similarity	NPC168758
0.5855	Remote Similarity	NPC12270
0.5854	Remote Similarity	NPC476111
0.5849	Remote Similarity	NPC318445
0.5849	Remote Similarity	NPC316133
0.5843	Remote Similarity	NPC243902
0.5843	Remote Similarity	NPC145899
0.5839	Remote Similarity	NPC472615
0.5839	Remote Similarity	NPC473249
0.5838	Remote Similarity	NPC185590
0.5838	Remote Similarity	NPC264958
0.5838	Remote Similarity	NPC135121
0.5838	Remote Similarity	NPC15440
0.5838	Remote Similarity	NPC138775
0.5833	Remote Similarity	NPC123141
0.5833	Remote Similarity	NPC476952
0.5833	Remote Similarity	NPC114806
0.5829	Remote Similarity	NPC129624
0.5828	Remote Similarity	NPC133729
0.5824	Remote Similarity	NPC263493
0.5824	Remote Similarity	NPC475584
0.5824	Remote Similarity	NPC475152
0.5824	Remote Similarity	NPC475394
0.5824	Remote Similarity	NPC269398
0.5823	Remote Similarity	NPC477238
0.5818	Remote Similarity	NPC76999
0.5817	Remote Similarity	NPC275100
0.5817	Remote Similarity	NPC261750
0.5817	Remote Similarity	NPC1111
0.5817	Remote Similarity	NPC474497
0.5816	Remote Similarity	NPC313670
0.5814	Remote Similarity	NPC316249
0.5813	Remote Similarity	NPC469494
0.5812	Remote Similarity	NPC245741
0.5811	Remote Similarity	NPC80439
0.5811	Remote Similarity	NPC279833
0.5811	Remote Similarity	NPC6271
0.5811	Remote Similarity	NPC173690
0.581	Remote Similarity	NPC322372
0.581	Remote Similarity	NPC319334
0.581	Remote Similarity	NPC327517
0.581	Remote Similarity	NPC317377
0.581	Remote Similarity	NPC321485
0.58	Remote Similarity	NPC251330

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC314050 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	101
0.1-0.2	348
0.2-0.3	2085
0.3-0.4	4401
0.4-0.5	1932
0.5-0.6	274
0.6-0.7	20
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.6582	Remote Similarity	NPD8415	Approved
0.6541	Remote Similarity	NPD8387	Clinical (unspecified phase)
0.6536	Remote Similarity	NPD8341	Approved
0.6536	Remote Similarity	NPD8340	Approved
0.6536	Remote Similarity	NPD8299	Approved
0.6536	Remote Similarity	NPD8342	Approved
0.6494	Remote Similarity	NPD8273	Phase 1
0.6433	Remote Similarity	NPD8391	Approved
0.6433	Remote Similarity	NPD8392	Approved
0.6433	Remote Similarity	NPD8390	Approved
0.6387	Remote Similarity	NPD8451	Approved
0.6346	Remote Similarity	NPD8448	Approved
0.6174	Remote Similarity	NPD2204	Approved
0.6149	Remote Similarity	NPD8414	Discontinued
0.6145	Remote Similarity	NPD8384	Approved
0.6139	Remote Similarity	NPD8074	Phase 3
0.6107	Remote Similarity	NPD6421	Discontinued
0.6093	Remote Similarity	NPD1376	Discontinued
0.6024	Remote Similarity	NPD8172	Phase 2
0.6024	Remote Similarity	NPD8173	Phase 2
0.5974	Remote Similarity	NPD8137	Clinical (unspecified phase)
0.5935	Remote Similarity	NPD7641	Discontinued
0.5887	Remote Similarity	NPD7983	Approved
0.5886	Remote Similarity	NPD7623	Phase 3
0.5886	Remote Similarity	NPD7624	Clinical (unspecified phase)
0.5855	Remote Similarity	NPD1719	Phase 1
0.5849	Remote Similarity	NPD7642	Approved
0.5839	Remote Similarity	NPD7747	Phase 1
0.5839	Remote Similarity	NPD7746	Phase 1
0.5833	Remote Similarity	NPD7756	Clinical (unspecified phase)
0.5823	Remote Similarity	NPD8274	Clinical (unspecified phase)
0.5823	Remote Similarity	NPD7739	Clinical (unspecified phase)
0.5808	Remote Similarity	NPD8416	Discontinued
0.58	Remote Similarity	NPD8140	Approved
0.5769	Remote Similarity	NPD7500	Approved
0.5724	Remote Similarity	NPD8306	Approved
0.5724	Remote Similarity	NPD8305	Approved
0.5723	Remote Similarity	NPD8444	Approved
0.5698	Remote Similarity	NPD5193	Discontinued
0.5697	Remote Similarity	NPD7260	Phase 2
0.5695	Remote Similarity	NPD8307	Discontinued
0.569	Remote Similarity	NPD2575	Approved
0.5687	Remote Similarity	NPD8080	Discontinued
0.5669	Remote Similarity	NPD6936	Clinical (unspecified phase)
0.5669	Remote Similarity	NPD6935	Phase 3
0.5663	Remote Similarity	NPD6845	Suspended
0.5655	Remote Similarity	NPD5747	Discontinued
0.5621	Remote Similarity	NPD6413	Approved
0.5616	Remote Similarity	NPD7839	Suspended

Structure

CID314050 OpenBabel06191716122D 49 50 0 0 1 0 0 0 0 0999 V2000 10.0037 -10.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3177 -4.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 -1.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6244 -9.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7071 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9911 -5.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5371 -5.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0474 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1607 -7.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1287 -3.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1084 -8.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0517 -6.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -3.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0197 -3.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9471 -8.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1041 -5.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -3.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8584 -3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -1.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8947 -9.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2654 -5.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6127 -2.2443 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4417 0.7346 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7334 -10.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5604 -3.2430 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8264 -0.7011 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3744 -5.6028 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7346 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5881 -4.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5357 -5.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9877 -0.1564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7494 -3.5149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1564 0.9877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6811 -11.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 -3.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3221 -6.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 2.4294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4791 -3.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 0.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9354 -1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5197 -11.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7901 -11.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 -0.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 34 1 0 0 0 0 8 34 1 0 0 0 0 9 38 1 0 0 0 0 10 48 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 19 28 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 29 1 0 0 0 0 22 26 2 0 0 0 0 23 30 1 0 0 0 0 24 28 1 0 0 0 0 25 31 1 0 0 0 0 25 36 1 0 0 0 0 26 39 1 0 0 0 0 27 35 1 0 0 0 0 27 49 1 0 0 0 0 28 40 1 0 0 0 0 29 36 1 0 0 0 0 29 48 1 0 0 0 0 30 34 1 0 0 0 0 30 41 1 0 0 0 0 31 38 1 0 0 0 0 31 42 2 0 0 0 0 32 34 1 0 0 0 0 32 37 2 3 0 0 0 32 43 1 0 0 0 0 33 35 1 0 0 0 0 33 44 2 0 0 0 0 33 49 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 36 45 1 0 0 0 0 39 46 2 0 0 0 0 39 47 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11181528
ChEMBL	CHEMBL449780
ZINC

Physicochemical Properties

Molecular Weight:	687.37
ALogP:	2.8798
MLogP:	3.99
XLogP:	1.542
# Rotatable Bonds:	31
Polar Surface Area:	192.26
# H-Bond Aceptor:	10
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	49

Download Data

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General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs